Journal
APPLIED SURFACE SCIENCE
Volume 451, Issue -, Pages 141-147Publisher
ELSEVIER
DOI: 10.1016/j.apsusc.2018.04.264
Keywords
Li-ion battery; Na-ion battery; 2D materials; DFT
Categories
Funding
- Department of Science and Technology, Govt. of India [IFA-13 ENG-62]
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In this work the lithiation and sodiation properties of 2-dimensional (2D) AlN sheets are studied from density functional theory (DFT) simulations. 2D AlN showed theoretical specific capacity of 500.8 and 385.3 mA h g (1), maximum open circuit voltage of 1.49 and 1.86 V and diffusion barriers 0.40 and 0.15 eV, for Li and Na adsorption respectively. The calculations show 2D AlN as a possible alternative as anode material in Li-ion and Na-ion batteries. Further the high specific capacity and small diffusion barriers for Na atoms can make 2D AlN useful in supercapacitors. The change in carrier transport properties due to Li/Na adsorption on monolayer AlN can also be useful in chemical/bio-sensors and nanoelectronics devices. (C) 2018 Elsevier B.V. All rights reserved.
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